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canSAR2017001
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NAMES
    SMILES
    COCCn1c(C)cc(C2=NN=C(NC3CC3)SC2)c1C.Cl
    InChI
    InChI=1S/C15H22N4OS.ClH/c1-10-8-13(11(2)19(10)6-7-20-3)14-9-21-15(18-17-14)16-12-4-5-12;/h8,12H,4-7,9H2,1-3H3,(H,16,18);1H
    MOLECULAR FORMULA
    C15H23ClN4OS
    CROSS REFERENCES
    2017001 logo

    canSAR2017001

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 342.13
    AlogP 2.73
    HBond donors 1
    HBond acceptors 5
    Atoms 45
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2017001.